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Lecture 8. Chemical Reaction Engineering (CRE) is the field that studies the rates and mechanisms of chemical reactions and the design of the reactors in which they take place. Lecture 8 – Tuesday 2/5/2013. Block 1: Mole Balances Block 2: Rate Laws Block 3: Stoichiometry

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Lecture 8


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  1. Lecture 8 Chemical Reaction Engineering (CRE) is the field that studies the rates and mechanisms of chemical reactions and the design of the reactors in which they take place.

  2. Lecture 8 – Tuesday 2/5/2013 • Block 1: Mole Balances • Block 2: Rate Laws • Block 3: Stoichiometry • Block 4: Combine • Pressure Drop • Liquid Phase Reactions • Gas Phase Reactions • Engineering Analysis of Pressure Drop

  3. Pressure Drop in PBRs Concentration Flow System: Gas Phase Flow System:

  4. Pressure Drop in PBRs Note: Pressure Drop does NOT affect liquid phase reactions Sample Question: Analyze the following second order gas phase reaction that occurs isothermally in a PBR: AB Mole Balances Must use the differential form of the mole balance to separate variables: Rate Laws Second order in A and irreversible:

  5. Pressure Drop in PBRs Stoichiometry Isothermal, T=T0 Combine: Need to find (P/P0) as a function of W (or V if you have a PFR)

  6. Pressure Drop in PBRs ErgunEquation: Constant mass flow:

  7. Pressure Drop in PBRs Variable Density Let

  8. Pressure Drop in PBRs Where CatalystWeight Let

  9. Pressure Drop in PBRs Wewilluse this form for singlereactions: Isothermal case

  10. Pressure Drop in PBRs and or The two expressions are coupledordinary differential equations. Wecanonlysolvethemsimultaneouslyusing an ODE solversuch as Polymath. For the special case of isothermal operation and epsilon = 0, we can obtain an analytical solution. Polymath will combine the Mole Balances, Rate Laws and Stoichiometry.

  11. Packed Bed Reactors

  12. Pressure Drop in a PBR 1 P W

  13. Concentration Profile in a PBR 2 CA W

  14. Reaction Rate in a PBR 3 -rA W

  15. Conversion in a PBR 4 X W

  16. Flow Rate in a PBR 5 1 W

  17. Example 1:Gas Phase Reaction in PBR for δ=0 Gas Phase reaction in PBR with δ = 0 (Analytical Solution) A + B  2C Repeat the previous one with equimolar feed of A and B and: kA = 1.5dm6/mol/kg/min α = 0.0099 kg-1 Find X at 100 kg

  18. Example 1:Gas Phase Reaction in PBR for δ=0 1) Mole Balance 2) Rate Law 3) Stoichiometry

  19. Example 1:Gas Phase Reaction in PBR for δ=0 , , 4) Combine

  20. Example 1:Gas Phase Reaction in PBR for δ=0

  21. Example 2:Gas Phase Reaction in PBR for δ≠0 The reaction A + 2B  C is carried out in a packed bed reactor in which there is pressure drop. The feed is stoichiometric in A and B. Plot the conversion and pressure ratio y = P/P0 as a function of catalyst weight up to 100 kg. Additional Information kA = 6 dm9/mol2/kg/min α = 0.02 kg-1

  22. Example 2:Gas Phase Reaction in PBR for δ≠0 A + 2B  C 3) Stoichiometry: Gas, Isothermal 1) Mole Balance 2) Rate Law

  23. Example 2:Gas Phase Reaction in PBR for δ≠0 4) 7) 6) 5) Initial values: W=0, X=0, y=1 Final values: W=100 Combine with Polymath. If δ≠0, polymath must be used to solve.

  24. Example 2:Gas Phase Reaction in PBR for δ≠0

  25. Example 2:Gas Phase Reaction in PBR for δ≠0

  26. T = T0

  27. Robert the Worrier wonders: What if we increase the catalyst size by a factor of 2?

  28. Pressure DropEngineering Analysis

  29. Pressure DropEngineering Analysis

  30. Pressure DropEngineering Analysis

  31. Heat Effects Isothermal Design Stoichiometry Rate Laws Mole Balance

  32. End of Lecture 8

  33. Pressure Drop - Summary • Pressure Drop • Liquid Phase Reactions • Pressure Drop does not affect concentrations in lquid phase reactions. • Gas Phase Reactions • Epsilon does not equal to zero d(P)/d(W)=… Polymath will combine with d(X)/d(W) =… for you • Epsilon = 0 and isothermal P=f(W) Combine then separate variables (X,W) and integrate • Engineering Analysis of Pressure Drop

  34. Pressure Change – Molar Flow Rate Use for heat effects, multiple rxns Isothermal: T = T0

  35. Example 1:Gas Phase Reaction in PBR for δ=0 A + B  2C Case 1: Case 2:

  36. PBR